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Crystal structure of bis-(prop-2-yn-1-yl) 5-nitro-isophthalate.

ABSTRACT: The whole mol-ecule of the title compound, C14H9NO6, is generated by twofold rotation symmetry; the twofold axis bis-ects the nitro group and the benzene ring. The nitro group is inclined to the benzene ring by 14.42?(9)°. The prop-2-yn-1-yl groups are inclined to the benzene ring by 13?(2)° and to each other by 24?(3)°; one directed above the plane of the benzene ring and the other below. In the crystal, mol-ecules are linked via pairs of C-H?O hydrogen bonds, forming inversion dimers with an R 2 (2)(18) ring motif. The dimers are linked by further C-H?O hydrogen bonds, forming sheets lying parallel to (100).

SUBMITTER: Ezhilarasi KS

PROVIDER: S-EPMC4459362 | biostudies-literature | 2015 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of bis-(prop-2-yn-1-yl) 5-nitro-isophthalate.

Ezhilarasi K S KS Selvarani Sivasamy S Rajakumar Perumal P Revathi B K BK Usha G G

Acta crystallographica. Section E, Crystallographic communications 20150530 Pt 6

The whole mol-ecule of the title compound, C14H9NO6, is generated by twofold rotation symmetry; the twofold axis bis-ects the nitro group and the benzene ring. The nitro group is inclined to the benzene ring by 14.42 (9)°. The prop-2-yn-1-yl groups are inclined to the benzene ring by 13 (2)° and to each other by 24 (3)°; one directed above the plane of the benzene ring and the other below. In the crystal, mol-ecules are linked via pairs of C-H⋯O hydrogen bonds, forming inversion dimers with an R ...[more]

PMID: 26090213

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